2-[[2-[(4-methylphenyl)sulfonyloxymethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoic acid

Systemtic Name: 2-[[2-[(4-methylphenyl)sulfonyloxymethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoic acid Openeye Name: 2-[[2-(1-naphthylmethyl)-3-(p-tolylsulfonyloxy)propanoyl]amino]hexanoic acid CAS Name: 2-[[2-[(4-methylphenyl)sulfonyloxymethyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[[2-[(4-methylphenyl)sulfonyloxymethyl]-3-naphthalen-1-ylpropanoyl]amino]hexanoic acid Traditional Name: 2-[[2-(1-naphthylmethyl)-3-tosyloxy-propanoyl]amino]hexanoic acid Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H31NO6S/c1-3-4-12-25(27(30)31)28-26(29)22(17-21-10-7-9-20-8-5-6-11-24(20)21)18-34-35(32,33)23-15-13-19(2)14-16-23/h5-11,13-16,22,25H,3-4,12,17-18H2,1-2H3,(H,28,29)(H,30,31)